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Cyclobut[d]inden-3(1H)-one, octahydro-, (2a.alpha.,5a.beta.,8aR*)-(.+-.)-
SpectraBase Compound ID 8WeztoaoIU4
InChI InChI=1S/C11H16O/c12-10-4-3-8-2-1-6-11(8)7-5-9(10)11/h8-9H,1-7H2/t8-,9-,11+/m1/s1
InChIKey PVMMTRDUBHAGQG-KKZNHRDASA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Hm4Usa2u5Z
Name Cyclobut[d]inden-3(1H)-one, octahydro-, (2a.alpha.,5a.beta.,8aR*)-(.+-.)-
Alternate Name(s) (1S*,4S*,8R*)-tricyclo[6.3.0.0(1,4)]undecan-5-one (2aS,5aR,8aS)-octahydrocyclobuta[d]inden-3(1H)-one
CAS Registry Number 120052-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c12-10-4-3-8-2-1-6-11(8)7-5-9(10)11/h8-9H,1-7H2/t8-,9-,11+/m1/s1
InChIKey PVMMTRDUBHAGQG-KKZNHRDASA-N
Molecular Weight 164.248 g/mol
SMILES [C@]123[C@](C(=O)CC[C@]3(CCC1)[H])([H])CC2
SPLASH splash10-0a6r-4900000000-8544ae4b19a8bc563b63
Source of Spectrum C-111-3710-1
Wiley ID 1160874